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<meta name="author" content="Felix Plasser">
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  <td class='title'><h1>TheoDORE</h1>
  <h4>A package for Theoretical Density, Orbital Relaxation and Exciton analysis</h4>
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<h2>The libwfa library</h2>

<p class="narrow">While TheoDORE focuses on an external analysis of the output of standard quantum chemical programs, an integrated wavefunction analysis environment is provided by the wavefunction analysis library libwfa.
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<p class="narrow">The libwfa library was developed by F. Plasser, M. Wormit, S. A. B&auml;ppler, B. Thomitzni, and A. Dreuw at the University of Heidelberg.
Currently libwfa is interfaced to the ADC, CC and TDDFT modules of Q-Chem
as well as the RASSCF and RASSI modules of OpenMolcas.</p>

<p class="narrow">The libwfa source can be accessed via <a href="https://github.com/libwfa/libwfa">github</a>.
If you are interested in writing a new interface or in including new functionality, please contact one of the authors.
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